Molecule

ID:89394

General Information
Structure
Molecular Formula
C₅H₇ClO₃
Molecular Mass
150.56028
Exact Mass
150.00837176
Charge
0
InChI
InChI=1S/C5H7ClO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3
InChIKey
HFLMYYLFSNEOOT-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)CC(=O)OC
Isomeric Smiles
O(C(=O)CC(=O)CCl)C
Calculated Properties
JChem
Acid pKa
9.354402
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9150188
LogD (pH = 7.4)
0.9102855
Log P
0.6817461
Molar Refractivity
32.0612
Polarizability
12.785686
Polar Surface Area
43.37
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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